2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide

C12H15F3N2O — CID 63591393

IUPAC2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESNCc1ccc(CC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18)
InChIKeySWEURZNCSHXECP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide

2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 63591393) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID63591393
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESNCc1ccc(CC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18)
InChIKeySWEURZNCSHXECP-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide (CID 63591393) is 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide is NCc1ccc(CC(=O)NCCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is SWEURZNCSHXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 260.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 63591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).